[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)OC

InChI

InChI=1S/C18H18N2O5S/c1-4-24-15-6-5-12(7-16(15)23-3)18(22)25-9-14(21)13(8-19)17-20-11(2)10-26-17/h5-7,10,13H,4,9H2,1-3H3/t13-/m0/s1